⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29899081 | 0.73 | HCAR2 (0.33) | — | |
| SCHEMBL28471542 | 0.68 | — | — | |
| SCHEMBL28574020 | 0.66 | GPR119 (0.36) | — | |
| Bromide SCHEMBL19031267 | 0.66 | HDAC3 (0.51) | — | |
| SCHEMBL7470138 | 0.63 | — | — | |
| SCHEMBL4753742 | 0.60 | HDAC1 (0.48) | — | |
| SCHEMBL9933917 | 0.58 | TSHR (0.32) | — | |
| SCHEMBL6948592 | 0.58 | FDPS (0.55) | — | |
| SCHEMBL9934185 | 0.58 | ABL1 (0.40) | — | |
| SCHEMBL13811980 | 0.58 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0649432-B1 | FLUORINE COMPRISING DIPEPTIDES AS INHIBITORS AGAINST HUMAN LEUCOCYTE ELASTASE INHIBITORS | ZENECA LTD (GB) | 1998-09-16 | — | — | EP | disclosed |
| US-5532366-A | Heterocyclic amides | ZENECA LIMITED (GB) | 1996-07-02 | — | — | US | disclosed |
| US-5532366-A | Heterocyclic amides | ZENECA LIMITED (GB) | 1996-07-02 | — | — | US | disclosed |
| EP-0649432-A1 | FLUORINE COMPRISING DIPEPTIDES AS INHIBITORS AGAINST HUMAN LEUCOCYTE ELASTASE INHIBITORS | ZENECA LIMITED (GB) | 1995-04-26 | — | — | EP | disclosed |
| WO-1994001455-A1 | FLUORINE COMPRISING DIPEPTIDES AS INHIBITORS AGAINST HUMAN LEUCOCYTE ELASTASE INHIBITORS | ZENECA LIMITED (GB) | 1994-01-20 | — | — | WO | disclosed |